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GPCR

NameSubstance-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length402
Amino acid sequenceMGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS
UniProtQ64077
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2647
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL339213
Molecular formulaC35H34BrCl2N3O2S
IUPAC nameN-[(2S)-4-[4-[4-bromo-2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-3-cyano-N-methylnaphthalene-1-carboxamide
Molecular weight711.54
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.8
SynonymsN/A
Inchi KeyLISDXZHBFMSEKB-WWUDGXSDSA-N
Inchi IDInChI=1S/C35H34BrCl2N3O2S/c1-40(35(42)31-18-23(21-39)17-26-5-3-4-6-29(26)31)22-27(25-7-10-32(37)33(38)19-25)13-16-41-14-11-24(12-15-41)30-9-8-28(36)20-34(30)44(2)43/h3-10,17-20,24,27H,11-16,22H2,1-2H3/t27-,44+/m1/s1
PubChem CID10941557
ChEMBLCHEMBL339213
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
ED5030.0 umol.kg-1PMID12190319ChEMBL

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